6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline

C21H14ClFN2 — CID 141477649

IUPAC6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline
SMILESCc1ccccc1-c1nc(-c2ccc(F)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C21H14ClFN2/c1-13-4-2-3-5-17(13)21-24-19-11-8-15(22)12-18(19)20(25-21)14-6-9-16(23)10-7-14/h2-12H,1H3
InChIKeyIHQHBGRBFQLGSH-UHFFFAOYSA-N
MW348.81 g/mol
LogP6.06
Rot. Bonds2

About 6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline

6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline (PubChem CID 141477649) has the molecular formula C21H14ClFN2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline.

Molecular Properties

Compound Name6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline
PubChem CID141477649
Molecular FormulaC21H14ClFN2
Molecular Weight348.81 g/mol
Exact Mass348.08
IUPAC Name6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline
SMILESCc1ccccc1-c1nc(-c2ccc(F)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C21H14ClFN2/c1-13-4-2-3-5-17(13)21-24-19-11-8-15(22)12-18(19)20(25-21)14-6-9-16(23)10-7-14/h2-12H,1H3
InChIKeyIHQHBGRBFQLGSH-UHFFFAOYSA-N
XLogP6.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.81
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
6-Chloroquinazoline-2,4-diamine
CID 256219
4-Cyclohexyl-2-phenylquinazoline
CID 23640938
6-Chloro-4-(dichloromethyl)-2-phenylquinazoline
CID 617341
N-(6-Chloro-4-phenyl-quinazolin-2-yl)-guanidine
CID 24746808
6-Chloro-2-(methylthio)-4-phenylquinazoline
CID 700615
2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile
CID 2017190
(4-Chloro-phenyl)-(2-phenyl-quinazolin-4-yl)-amine
CID 10359377
4-Chloro-2-phenylquinazoline
CID 80977
N~2~-(4-chlorophenyl)-2,4-quinazolinediamine hydrochloride
CID 2953146
N-(6-aminohexyl)-6-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-amine
CID 12084394
N-(6-aminohexyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-5-methylquinazolin-4-amine
CID 21100419

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline?
The IUPAC name of 6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline (CID 141477649) is 6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline.
What is the SMILES notation for 6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline?
The canonical SMILES for 6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline is Cc1ccccc1-c1nc(-c2ccc(F)cc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline?
The InChIKey is IHQHBGRBFQLGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2/c1-13-4-2-3-5-17(13)21-24-19-11-8-15(22)12-18(19)20(25-21)14-6-9-16(23)10-7-14/h2-12H,1H3.
What are the key properties of 6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline?
6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline has a molecular weight of 348.81 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline is sourced from PubChem (CID 141477649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).